11-methylsulfanylundecan-1-amine

C12H27NS — CID 15934918

IUPAC11-methylsulfanylundecan-1-amine
SMILESCSCCCCCCCCCCCN
InChIInChI=1S/C12H27NS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h2-13H2,1H3
InChIKeyPAKKOLGBOUUYOW-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.82
Rot. Bonds11

About 11-methylsulfanylundecan-1-amine

11-methylsulfanylundecan-1-amine (PubChem CID 15934918) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 11-methylsulfanylundecan-1-amine.

Molecular Properties

Compound Name11-methylsulfanylundecan-1-amine
PubChem CID15934918
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name11-methylsulfanylundecan-1-amine
SMILESCSCCCCCCCCCCCN
InChIInChI=1S/C12H27NS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h2-13H2,1H3
InChIKeyPAKKOLGBOUUYOW-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11-methylsulfanylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-methylsulfanylundecan-1-amine?
The IUPAC name of 11-methylsulfanylundecan-1-amine (CID 15934918) is 11-methylsulfanylundecan-1-amine.
What is the SMILES notation for 11-methylsulfanylundecan-1-amine?
The canonical SMILES for 11-methylsulfanylundecan-1-amine is CSCCCCCCCCCCCN.
What is the InChIKey of 11-methylsulfanylundecan-1-amine?
The InChIKey is PAKKOLGBOUUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h2-13H2,1H3.
What are the key properties of 11-methylsulfanylundecan-1-amine?
11-methylsulfanylundecan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylsulfanylundecan-1-amine is sourced from PubChem (CID 15934918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).